1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide

C21H14ClN3O2 — CID 56680164

IUPAC1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H14ClN3O2/c22-17-12-6-4-10-15(17)21(27)25-18-13-7-5-11-16(18)19(24-25)20(26)23-14-8-2-1-3-9-14/h1-13H,(H,23,26)
InChIKeyPLXOVNCPSKMBMC-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.63
Rot. Bonds3

About 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide

1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide (PubChem CID 56680164) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
PubChem CID56680164
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H14ClN3O2/c22-17-12-6-4-10-15(17)21(27)25-18-13-7-5-11-16(18)19(24-25)20(26)23-14-8-2-1-3-9-14/h1-13H,(H,23,26)
InChIKeyPLXOVNCPSKMBMC-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
CID 56670017
1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid
CID 58796752
2,3-dichloro-N-phenylbenzamide
CID 7732866
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide
CID 157307504
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
N-methyl-1-(3-methylbenzoyl)indazole-3-carboxamide
CID 175254952
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791
1-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)indazole-3-carboxamide
CID 166048111
4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
CID 59301844
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide (CID 56680164) is 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(C(=O)c2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
The InChIKey is PLXOVNCPSKMBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-17-12-6-4-10-15(17)21(27)25-18-13-7-5-11-16(18)19(24-25)20(26)23-14-8-2-1-3-9-14/h1-13H,(H,23,26).
What are the key properties of 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56680164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).